5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine

C14H16ClN5 — CID 58299575

IUPAC5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccncc2Cl)c(NC2CCCC2)n1
InChIInChI=1S/C14H16ClN5/c15-12-8-17-6-5-10(12)11-7-18-14(16)20-13(11)19-9-3-1-2-4-9/h5-9H,1-4H2,(H3,16,18,19,20)
InChIKeyJIOHKKWRBXRJRW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.13
Rot. Bonds3

About 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine

5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine (PubChem CID 58299575) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine
PubChem CID58299575
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccncc2Cl)c(NC2CCCC2)n1
InChIInChI=1S/C14H16ClN5/c15-12-8-17-6-5-10(12)11-7-18-14(16)20-13(11)19-9-3-1-2-4-9/h5-9H,1-4H2,(H3,16,18,19,20)
InChIKeyJIOHKKWRBXRJRW-UHFFFAOYSA-N
XLogP3.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine (CID 58299575) is 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine is Nc1ncc(-c2ccncc2Cl)c(NC2CCCC2)n1.
What is the InChIKey of 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine?
The InChIKey is JIOHKKWRBXRJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-12-8-17-6-5-10(12)11-7-18-14(16)20-13(11)19-9-3-1-2-4-9/h5-9H,1-4H2,(H3,16,18,19,20).
What are the key properties of 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine?
5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine has a molecular weight of 289.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine is sourced from PubChem (CID 58299575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).